4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine

C25H22FNS — CID 130445387

IUPAC4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine
SMILESCc1sc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccccc1
InChIInChI=1S/C25H22FNS/c1-18-23(9-5-8-19-6-3-2-4-7-19)24(20-14-16-27-17-15-20)25(28-18)21-10-12-22(26)13-11-21/h2-4,6-7,10-17H,5,8-9H2,1H3
InChIKeyIFCUWJLUOIFELJ-UHFFFAOYSA-N
MW387.52 g/mol
LogP7.10
Rot. Bonds6

About 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine

4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine (PubChem CID 130445387) has the molecular formula C25H22FNS and a molecular weight of 387.52 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine
PubChem CID130445387
Molecular FormulaC25H22FNS
Molecular Weight387.52 g/mol
Exact Mass387.15
IUPAC Name4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine
SMILESCc1sc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccccc1
InChIInChI=1S/C25H22FNS/c1-18-23(9-5-8-19-6-3-2-4-7-19)24(20-14-16-27-17-15-20)25(28-18)21-10-12-22(26)13-11-21/h2-4,6-7,10-17H,5,8-9H2,1H3
InChIKeyIFCUWJLUOIFELJ-UHFFFAOYSA-N
XLogP7.10
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine?
The IUPAC name of 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine (CID 130445387) is 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine?
The canonical SMILES for 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine is Cc1sc(-c2ccc(F)cc2)c(-c2ccncc2)c1CCCc1ccccc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine?
The InChIKey is IFCUWJLUOIFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNS/c1-18-23(9-5-8-19-6-3-2-4-7-19)24(20-14-16-27-17-15-20)25(28-18)21-10-12-22(26)13-11-21/h2-4,6-7,10-17H,5,8-9H2,1H3.
What are the key properties of 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine?
4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine has a molecular weight of 387.52 g/mol, XLogP of 7.10, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine is sourced from PubChem (CID 130445387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).